¿Conjugated? Copolymers from a Pechmann Dye Derivative

A. D. Thilanga Liyanage, Begoña Milián-Medina, Bei Zhang, Johannes Gierschner, Mark D. Watson

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


Empirical observation and quantum chemical explanation of a likely common but “overlooked” outcome of the donor–acceptor (D–A) approach to organic electronic materials are reported. The frontier molecular orbitals (FMOs) of D–A copolymers prepared from the amidated Pechmann dye unit (APD) are dictated primarily by this “acceptor,” largely because its HOMO–LUMO gap falls within the gaps of common “donor” units. D–A copolymers with common benzodithiophene and cyclopentadithiophene units as “donors” are presented, giving examples having similar optical properties regardless of backbone planarity and solid-state packing motif, along with calculations extending to several other common donor monomers to indicate generality. According to quantum-chemical studies, APD-localized FMOs form the transition to the lowest excited state, and higher lying charge-transfer (CT) states. Other existing examples of this FMO situation are likely, but with (opto)electronic properties attributed to lack of conjugation due to, e.g., polymer backbone twisting. (Figure presented.).

Original languageEnglish
Pages (from-to)2068-2073
Number of pages6
JournalMacromolecular Chemistry and Physics
Issue number18
StatePublished - Sep 1 2016

Bibliographical note

Publisher Copyright:
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim


  • conducting polymers
  • conjugated polymers
  • donor–acceptor
  • quantum chemistry

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Polymers and Plastics
  • Organic Chemistry
  • Materials Chemistry


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